4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane

C249H418N28O19 — CID 161138242

IUPAC4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CCc1ccc(OCCNC(C)(C)C)nc1.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COc1ccc(OCCNC(C)(C)C)nc1.CC(CCCC(C)(C)C)Oc1ccnc(C(C)(C)C)c1.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.C[C@@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1.C[C@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1
InChIInChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H34N2O2.C22H33N3O2.C22H39N3O.C18H31NO.2C17H30N2O2.C17H30N2O.C16H28N2O2.2C2H6/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;1-14(9-8-11-17(2,3)4)20-15-10-12-19-16(13-15)18(5,6)7;2*1-13(10-19-17(5,6)7)21-15-9-8-14(11-18-15)20-12-16(2,3)4;1-16(2,3)10-9-14-7-8-15(18-13-14)20-12-11-19-17(4,5)6;1-15(2,3)12-20-13-7-8-14(17-11-13)19-10-9-18-16(4,5)6;2*1-2/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-10,23H,11-18H2,1-6H3;10,12-14H,8-9,11H2,1-7H3;2*8-9,11,13,19H,10,12H2,1-7H3;7-8,13,19H,9-12H2,1-6H3;7-8,11,18H,9-10,12H2,1-6H3;2*1-2H3/t;;;;;;;;2*13-;;;;/m........10..../s1
InChIKeyUNBVKNACALTTMX-RLBHHRHRSA-N
MW4108.26 g/mol
LogP54.80
Rot. Bonds80

About 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane

4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane (PubChem CID 161138242) has the molecular formula C249H418N28O19 and a molecular weight of 4108.26 g/mol. Its IUPAC name is 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane.

Molecular Properties

Compound Name4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane
PubChem CID161138242
Molecular FormulaC249H418N28O19
Molecular Weight4108.26 g/mol
Exact Mass4105.26
IUPAC Name4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane
SMILESCC.CC.CC(C)(C)CCc1ccc(OCCNC(C)(C)C)nc1.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COc1ccc(OCCNC(C)(C)C)nc1.CC(CCCC(C)(C)C)Oc1ccnc(C(C)(C)C)c1.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.C[C@@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1.C[C@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1
InChIInChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H34N2O2.C22H33N3O2.C22H39N3O.C18H31NO.2C17H30N2O2.C17H30N2O.C16H28N2O2.2C2H6/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;1-14(9-8-11-17(2,3)4)20-15-10-12-19-16(13-15)18(5,6)7;2*1-13(10-19-17(5,6)7)21-15-9-8-14(11-18-15)20-12-16(2,3)4;1-16(2,3)10-9-14-7-8-15(18-13-14)20-12-11-19-17(4,5)6;1-15(2,3)12-20-13-7-8-14(17-11-13)19-10-9-18-16(4,5)6;2*1-2/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-10,23H,11-18H2,1-6H3;10,12-14H,8-9,11H2,1-7H3;2*8-9,11,13,19H,10,12H2,1-7H3;7-8,13,19H,9-12H2,1-6H3;7-8,11,18H,9-10,12H2,1-6H3;2*1-2H3/t;;;;;;;;2*13-;;;;/m........10..../s1
InChIKeyUNBVKNACALTTMX-RLBHHRHRSA-N
XLogP54.80
TPSA476.65 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds80
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004108.26
LogP ≤ 554.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane?
The IUPAC name of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane (CID 161138242) is 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane.
What is the SMILES notation for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane?
The canonical SMILES for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane is CC.CC.CC(C)(C)CCc1ccc(OCCNC(C)(C)C)nc1.CC(C)(C)COCCC(=O)N1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COCCCOc1ccc(-c2ccc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCCOc1ccc(-c2cnc(NC(C)(C)C)cn2)cc1.CC(C)(C)COCCN1CCN(c2ccc(CNC(C)(C)C)cc2)CC1.CC(C)(C)COc1ccc(OCCNC(C)(C)C)nc1.CC(CCCC(C)(C)C)Oc1ccnc(C(C)(C)C)c1.CC(NC(C)(C)C)c1ccc(-c2ccn(CCOCC(C)(C)C)c(=O)c2)cc1.CC(NC(C)(C)C)c1ccc(-c2ncc(CCOCC(C)(C)C)cn2)cc1.CC(NC(C)(C)C)c1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1.C[C@@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1.C[C@H](CNC(C)(C)C)Oc1ccc(OCC(C)(C)C)cn1.
What is the InChIKey of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane?
The InChIKey is UNBVKNACALTTMX-RLBHHRHRSA-N. The full InChI is InChI=1S/C24H36N2O2.C23H39N3O2.C23H41N3O.C23H35N3O.C23H34N2O2.C22H33N3O2.C22H39N3O.C18H31NO.2C17H30N2O2.C17H30N2O.C16H28N2O2.2C2H6/c1-18(25-24(5,6)7)19-8-10-20(11-9-19)21-12-13-26(22(27)16-21)14-15-28-17-23(2,3)4;1-22(2,3)18-28-16-11-21(27)26-14-12-25(13-15-26)20-9-7-19(8-10-20)17-24-23(4,5)6;1-19(24-23(5,6)7)20-8-10-21(11-9-20)26-14-12-25(13-15-26)16-17-27-18-22(2,3)4;1-17(26-23(5,6)7)19-8-10-20(11-9-19)21-24-14-18(15-25-21)12-13-27-16-22(2,3)4;1-22(2,3)17-26-14-7-15-27-20-11-8-18(9-12-20)21-13-10-19(16-24-21)25-23(4,5)6;1-21(2,3)16-26-12-7-13-27-18-10-8-17(9-11-18)19-14-24-20(15-23-19)25-22(4,5)6;1-21(2,3)18-26-16-15-24-11-13-25(14-12-24)20-9-7-19(8-10-20)17-23-22(4,5)6;1-14(9-8-11-17(2,3)4)20-15-10-12-19-16(13-15)18(5,6)7;2*1-13(10-19-17(5,6)7)21-15-9-8-14(11-18-15)20-12-16(2,3)4;1-16(2,3)10-9-14-7-8-15(18-13-14)20-12-11-19-17(4,5)6;1-15(2,3)12-20-13-7-8-14(17-11-13)19-10-9-18-16(4,5)6;2*1-2/h8-13,16,18,25H,14-15,17H2,1-7H3;7-10,24H,11-18H2,1-6H3;8-11,19,24H,12-18H2,1-7H3;8-11,14-15,17,26H,12-13,16H2,1-7H3;8-13,16,25H,7,14-15,17H2,1-6H3;8-11,14-15H,7,12-13,16H2,1-6H3,(H,24,25);7-10,23H,11-18H2,1-6H3;10,12-14H,8-9,11H2,1-7H3;2*8-9,11,13,19H,10,12H2,1-7H3;7-8,13,19H,9-12H2,1-6H3;7-8,11,18H,9-10,12H2,1-6H3;2*1-2H3/t;;;;;;;;2*13-;;;;/m........10..../s1.
What are the key properties of 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane?
4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane has a molecular weight of 4108.26 g/mol, XLogP of 54.80, 80 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(tert-butylamino)ethyl]phenyl]-1-[2-(2,2-dimethylpropoxy)ethyl]pyridin-2-one;1-[4-[4-[(tert-butylamino)methyl]phenyl]piperazin-1-yl]-3-(2,2-dimethylpropoxy)propan-1-one;2-tert-butyl-4-(6,6-dimethylheptan-2-yloxy)pyridine;N-tert-butyl-5-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyrazin-2-amine;N-tert-butyl-6-[4-[3-(2,2-dimethylpropoxy)propoxy]phenyl]pyridin-3-amine;N-[2-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[1-[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[[4-[4-[2-(2,2-dimethylpropoxy)ethyl]piperazin-1-yl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[5-[2-(2,2-dimethylpropoxy)ethyl]pyrimidin-2-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]ethyl]-2-methylpropan-2-amine;N-[(2R)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]propyl]-2-methylpropan-2-amine;ethane is sourced from PubChem (CID 161138242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).